CID 34722

5,5-dimethyl-2-isopropyltetrahydro-3-furanol

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(C)C1C(CC(O1)(C)C)O
InChI
InChI=1S/C9H18O2/c1-6(2)8-7(10)5-9(3,4)11-8/h6-8,10H,5H2,1-4H3
InChIKey
WMKJJVTWUQFUCF-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-propan-2-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 134.4
[M+Na]+ 181.11990 141.8
[M-H]- 157.12340 137.5
[M+NH4]+ 176.16450 157.6
[M+K]+ 197.09384 142.1
[M+H-H2O]+ 141.12794 131.2
[M+HCOO]- 203.12888 153.7
[M+CH3COO]- 217.14453 176.2
[M+Na-2H]- 179.10535 137.8
[M]+ 158.13013 134.1
[M]- 158.13123 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.